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5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID is a pyrrolidine derivative with the molecular formula C13H13NO3, featuring a carboxylic acid functional group and a tolyl substituent. This chemical compound is frequently utilized in the synthesis of pharmaceuticals and agrochemicals, as well as in research and development within the field of organic chemistry. It holds promise in medicinal chemistry as a building block for the creation of biologically active compounds and has been investigated for its potential therapeutic applications in various medical conditions.

56617-45-9

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56617-45-9 Usage

Uses

Used in Pharmaceutical Synthesis:
5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of biologically active compounds. Its unique structure allows for the creation of new drugs with potential therapeutic benefits.
Used in Agrochemical Development:
In the agrochemical industry, 5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID is used as a precursor in the development of new agrochemicals, potentially enhancing crop protection and yield through the creation of novel pesticides or other agricultural chemicals.
Used in Organic Chemistry Research:
5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID serves as a valuable compound in organic chemistry research, where it is used to explore new reaction pathways, understand structure-activity relationships, and develop innovative synthetic methodologies.
Used in Medicinal Chemistry:
5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID is utilized as a building block in medicinal chemistry for the design and synthesis of new pharmaceutical entities. Its structural features make it a promising candidate for the development of compounds that could address various medical conditions.
While the specific applications and industries for 5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID are not explicitly detailed in the provided materials, the above uses are inferred based on its role as a chemical intermediate and its potential in various chemical and medical fields.

Check Digit Verification of cas no

The CAS Registry Mumber 56617-45-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,6,1 and 7 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 56617-45:
(7*5)+(6*6)+(5*6)+(4*1)+(3*7)+(2*4)+(1*5)=139
139 % 10 = 9
So 56617-45-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H13NO3/c1-8-3-2-4-10(5-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)/p-1/t9-/m1/s1

56617-45-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 5-Oxo-1-m-tolyl-pyrrolidine-3-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:56617-45-9 SDS

56617-45-9Relevant academic research and scientific papers

A2Badenosine receptor antagonists: Design, synthesis and biological evaluation of novel xanthine derivatives

Basu, Sujay,Barawkar, Dinesh A.,Ramdas, Vidya,Waman, Yogesh,Patel, Meena,Panmand, Anil,Kumar, Santosh,Thorat, Sachin,Bonagiri, Rajesh,Jadhav, Dilip,Mukhopadhyay, Partha,Prasad, Vandna,Reddy, B. Srinivasa,Goswami, Arnab,Chaturvedi, Sandhya,Menon, Suraj,Quraishi, Azfar,Ghosh, Indraneel,Dusange, Sushant,Paliwal, Shalini,Kulkarni, Abhay,Karande, Vikas,Thakre, Rhishikesh,Bedse, Gaurav,Rouduri, Sreekanth,Gundu, Jayasagar,Palle, Venkata P.,Chugh, Anita,Mookhtiar, Kasim A.

supporting information, p. 986 - 996 (2017/02/12)

A2BAdoR is a low affinity adenosine receptor that functions by Gs mediated elevation of cAMP and subsequent downstream signaling. The receptor has been implicated in lung inflammatory disorders like?COPD and asthma. Several potent and selective

N-Aryl pyrrolidinonyl oxadiazoles as potent mGluR5 positive allosteric modulators

Packiarajan, Mathivanan,Mazza Ferreira, Christine G.,Hong, Sang-Phyo,White, Andrew D.,Chandrasena, Gamini,Pu, Xiaosui,Brodbeck, Robbin M.,Robichaud, Albert J.

scheme or table, p. 5658 - 5662 (2012/09/22)

A novel series of N-aryl pyrrolidinonyl oxadiazoles were identified as mGluR5 positive allosteric modulators (PAMs). Optimization of the initial lead compound 6a led to the identification of the 12c (-) enantiomer as a potent compound with acceptable in vitro clearance, CYP, hERG and PK properties. Para substituted N-aryl pyrrolidinonyl oxadiazoles are mGluR5 PAMs while the meta and ortho substituted N-aryl pyrrolidinonyl oxadiazoles are negative allosteric modulators (NAMs). Para fluoro substitution on the N-aryl group and meta chloro or methyl substituents on the aryl oxadiazole moiety are optimal for mGluR5 PAM efficacy. The existence of an exquisitely sensitive 'PAM to NAM switch' within this chemotype making it challenging for simultaneous optimization of potency and drug-like properties.

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